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CHEBI:213848 - Microginin FR3

ChEBI IDCHEBI:213848
ChEBI NameMicroginin FR3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H53N5O10
Net Charge0
Average Mass727.856
Monoisotopic Mass727.37924
SMILESCCCCCCC[C@H](N)[C@@H](O)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O
InChIInChI=1S/C37H53N5O10/c1-3-4-5-6-7-9-27(38)32(46)35(49)41-31(22(2)43)36(50)42-19-8-10-30(42)34(48)39-28(20-23-11-15-25(44)16-12-23)33(47)40-29(37(51)52)21-24-13-17-26(45)18-14-24/h11-18,22,27-32,43-46H,3-10,19-21,38H2,1-2H3,(H,39,48)(H,40,47)(H,41,49)(H,51,52)/t22-,27+,28+,29-,30-,31-,32-/m1/s1
InChIKeyMQLHZIBESRENLM-WPTGQUBASA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (29498640)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin FR3 (CHEBI:213848) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2R)-1-[(2R,3R)-2-[[(2R,3S)-3-amino-2-hydroxydecanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid